==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 01-MAY-02 1LMI . COMPND 2 MOLECULE: IMMUNOGENIC PROTEIN MPT63/MPB63; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.W.GOULDING,A.PARSEGHIAN,M.R.SAWAYA,D.CASCIO,M.APOSTOL, . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 37.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 2 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A S 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 28.8 36.3 17.2 2 2 A A + 0 0 102 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.554 360.0 135.2 -73.8 -12.3 30.1 36.5 13.6 3 3 A Y + 0 0 75 2,-0.1 123,-0.1 124,-0.0 2,-0.1 -0.576 23.0 61.0 -79.6 155.6 29.7 32.8 13.3 4 4 A P - 0 0 52 0, 0.0 2,-0.5 0, 0.0 123,-0.2 0.514 58.5-153.7 -91.5 161.1 28.6 30.8 11.5 5 5 A I E -a 127 0A 62 121,-2.6 123,-2.3 -2,-0.1 2,-0.4 -0.854 22.6-162.8 -90.9 123.3 30.5 30.9 8.2 6 6 A T E +a 128 0A 66 -2,-0.5 2,-0.2 121,-0.2 123,-0.2 -0.916 22.2 137.4-116.8 139.4 28.1 29.7 5.5 7 7 A G E -a 129 0A 10 121,-2.5 123,-2.4 -2,-0.4 2,-0.3 -0.803 47.3 -58.7-156.0-157.4 28.8 28.4 2.0 8 8 A K E > -a 130 0A 122 121,-0.3 3,-2.4 -2,-0.2 20,-0.3 -0.709 47.5-102.6 -99.7 141.4 27.8 25.8 -0.6 9 9 A L T 3 S+ 0 0 48 121,-2.3 20,-0.2 -2,-0.3 3,-0.1 -0.427 114.4 38.7 -49.5 135.4 28.0 22.0 -0.5 10 10 A G T 3 S+ 0 0 37 18,-3.5 2,-0.3 1,-0.3 -1,-0.3 0.092 99.4 104.7 99.2 -16.1 31.0 21.1 -2.5 11 11 A S < - 0 0 49 -3,-2.4 17,-0.9 17,-0.3 2,-0.5 -0.713 68.2-128.2-102.1 150.3 33.0 24.1 -1.1 12 12 A E E -E 27 0B 77 -2,-0.3 2,-0.4 15,-0.2 15,-0.3 -0.849 23.5-157.2 -93.5 123.7 35.8 24.2 1.4 13 13 A L E -E 26 0B 18 13,-2.9 13,-2.5 -2,-0.5 2,-0.4 -0.883 6.9-140.9-104.4 138.5 35.2 26.8 4.2 14 14 A T E -E 25 0B 69 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.758 16.7-175.2 -98.7 132.8 38.1 28.3 6.3 15 15 A M E -E 24 0B 16 9,-2.9 9,-2.5 -2,-0.4 2,-0.6 -0.994 13.4-150.0-132.0 138.0 37.9 28.9 10.0 16 16 A T E -E 23 0B 81 -2,-0.4 2,-0.6 7,-0.2 7,-0.2 -0.889 10.5-173.5-101.5 123.9 40.6 30.6 12.0 17 17 A D E >> +E 22 0B 66 5,-3.3 5,-2.4 -2,-0.6 4,-0.8 -0.765 8.8 173.4-119.4 92.1 40.8 29.5 15.6 18 18 A T T 45S+ 0 0 88 -2,-0.6 -1,-0.1 1,-0.2 5,-0.1 0.732 76.9 63.1 -75.1 -17.5 43.3 31.7 17.4 19 19 A V T 45S+ 0 0 140 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.939 116.6 31.6 -65.3 -40.8 42.6 30.2 20.8 20 20 A G T 45S- 0 0 41 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.479 108.4-127.3 -90.6 -2.0 43.8 26.9 19.5 21 21 A Q T <5 + 0 0 92 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.853 68.9 122.4 57.1 39.7 46.4 28.6 17.2 22 22 A V E < -E 17 0B 25 -5,-2.4 -5,-3.3 37,-0.1 2,-0.4 -0.931 47.7-163.2-128.7 156.4 45.0 26.6 14.3 23 23 A V E +EF 16 58B 23 35,-2.1 35,-2.2 -2,-0.3 34,-1.2 -0.995 21.9 178.0-128.4 132.8 43.4 27.4 10.9 24 24 A L E -EF 15 56B 17 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.4 -0.955 22.0-146.6-138.6 159.3 41.5 24.6 9.2 25 25 A G E -EF 14 55B 0 30,-2.2 30,-2.7 -2,-0.3 2,-0.4 -0.976 13.6-167.1-117.2 135.6 39.5 24.1 6.0 26 26 A W E -EF 13 54B 2 -13,-2.5 -13,-2.9 -2,-0.4 2,-0.4 -0.997 2.0-167.6-123.9 132.0 36.6 21.8 5.8 27 27 A K E -EF 12 53B 78 26,-2.7 26,-2.4 -2,-0.4 2,-0.4 -0.948 4.8-174.8-108.0 134.1 34.9 20.6 2.6 28 28 A V E + F 0 52B 0 -17,-0.9 -18,-3.5 -2,-0.4 -17,-0.3 -0.997 19.3 144.2-128.0 131.6 31.5 18.9 2.8 29 29 A S E + F 0 51B 11 22,-2.1 22,-3.0 -2,-0.4 -20,-0.0 -0.962 41.9 46.1-151.0 170.9 30.0 17.4 -0.4 30 30 A D E + 0 0 92 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.916 58.5 178.3 57.4 45.1 27.9 14.5 -1.6 31 31 A L E + 0 0 28 19,-0.2 2,-0.3 -3,-0.1 19,-0.2 -0.718 26.2 133.3 -74.9 117.6 25.2 14.6 1.1 32 32 A K E - F 0 49B 101 17,-2.6 17,-2.7 -2,-0.6 2,-0.1 -0.986 63.0 -69.9-163.1 160.3 22.8 11.9 0.1 33 33 A S E - F 0 48B 63 -2,-0.3 2,-0.3 15,-0.2 15,-0.3 -0.391 57.8-142.5 -57.3 137.9 20.7 8.9 1.0 34 34 A S - 0 0 4 13,-2.8 13,-0.2 2,-0.1 -1,-0.1 -0.752 27.4-158.5-109.6 152.2 23.2 6.0 1.8 35 35 A T + 0 0 140 -2,-0.3 -1,-0.1 11,-0.1 13,-0.1 0.373 59.7 124.7 -97.4 -5.7 23.1 2.3 1.2 36 36 A A - 0 0 18 11,-0.1 2,-0.5 51,-0.1 11,-0.2 -0.253 55.2-148.8 -52.6 139.9 25.7 1.9 4.0 37 37 A V - 0 0 107 1,-0.2 49,-0.1 2,-0.1 -2,-0.1 -0.975 22.6-175.4-105.7 125.8 24.7 -0.4 6.7 38 38 A I - 0 0 19 -2,-0.5 48,-0.8 3,-0.1 -1,-0.2 0.996 31.9 -25.0 -67.2 -59.2 26.4 1.1 9.7 39 39 A P - 0 0 60 0, 0.0 -2,-0.1 0, 0.0 45,-0.0 0.970 52.9 -91.1-122.4-132.2 26.1 -0.7 12.3 40 40 A G S S+ 0 0 88 1,-0.3 -3,-0.0 45,-0.1 0, 0.0 -0.059 96.4 128.8 70.5 16.6 25.5 -2.9 15.2 41 41 A Y S S- 0 0 99 1,-0.0 2,-1.9 40,-0.0 -1,-0.3 -0.812 74.0-121.8 -96.6 137.9 24.0 0.6 15.3 42 42 A P - 0 0 107 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.434 36.1-170.1 -81.4 73.6 20.3 1.0 16.2 43 43 A V - 0 0 55 -2,-1.9 4,-0.1 1,-0.2 65,-0.0 -0.439 14.2-178.1 -60.6 127.0 19.2 2.9 13.1 44 44 A A + 0 0 85 -2,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.661 68.0 5.0-100.5 -24.3 15.6 4.2 13.3 45 45 A G S S- 0 0 36 1,-0.0 2,-0.5 0, 0.0 65,-0.2 -0.018 108.1 -34.7-126.9-129.6 15.2 5.8 9.9 46 46 A Q E - G 0 109B 92 63,-2.6 63,-2.8 65,-0.1 2,-0.3 -0.932 54.8-122.7-107.4 129.6 17.3 6.0 6.7 47 47 A V E - G 0 108B 9 -2,-0.5 -13,-2.8 61,-0.2 2,-0.3 -0.514 31.7-172.7 -72.4 131.3 21.1 6.2 6.8 48 48 A W E -FG 33 107B 31 59,-2.5 59,-2.0 -15,-0.3 2,-0.3 -0.793 1.6-162.9-113.9 162.2 22.4 9.2 5.0 49 49 A E E -FG 32 106B 20 -17,-2.7 -17,-2.6 -2,-0.3 2,-0.3 -0.940 11.1-171.0-137.1 161.3 26.0 10.1 4.2 50 50 A A E - G 0 105B 0 55,-1.9 55,-2.1 -2,-0.3 2,-0.6 -0.958 26.2-123.2-141.7 163.1 28.2 13.0 3.3 51 51 A T E -FG 29 104B 31 -22,-3.0 -22,-2.1 -2,-0.3 2,-0.4 -0.940 33.2-173.5-108.1 119.2 31.9 13.1 2.2 52 52 A A E -FG 28 103B 0 51,-2.6 51,-1.9 -2,-0.6 2,-0.4 -0.916 10.9-170.7-120.5 141.4 34.0 15.4 4.4 53 53 A T E -FG 27 102B 23 -26,-2.4 -26,-2.7 -2,-0.4 2,-0.4 -1.000 7.0-157.8-132.6 127.2 37.6 16.6 4.0 54 54 A V E -FG 26 101B 0 47,-2.5 47,-2.2 -2,-0.4 2,-0.5 -0.881 5.2-159.8-108.1 141.3 39.6 18.5 6.7 55 55 A N E -FG 25 100B 24 -30,-2.7 -30,-2.2 -2,-0.4 2,-1.4 -0.987 13.4-143.6-123.4 116.7 42.6 20.5 5.7 56 56 A A E +F 24 0B 0 43,-2.5 42,-3.3 -2,-0.5 -32,-0.2 -0.650 32.4 163.7 -83.4 91.3 45.3 21.5 8.3 57 57 A I E S+ 0 0 67 -2,-1.4 2,-0.4 -34,-1.2 -33,-0.2 0.927 70.3 14.8 -80.3 -41.6 46.1 24.9 7.0 58 58 A R E S-F 23 0B 109 -35,-2.2 -35,-2.1 -3,-0.2 -1,-0.3 -0.982 122.1 -11.8-136.3 124.3 47.9 26.2 10.2 59 59 A G S S- 0 0 19 -2,-0.4 2,-0.3 -37,-0.2 39,-0.2 0.032 96.7 -50.5 79.9 171.7 49.0 23.8 12.9 60 60 A S - 0 0 76 36,-0.2 2,-0.4 37,-0.1 34,-0.1 -0.698 60.9-154.4 -78.1 134.1 48.3 20.2 13.6 61 61 A V B -J 95 0C 7 34,-2.3 34,-3.2 -2,-0.3 -5,-0.1 -0.958 19.3-164.7-121.5 133.4 44.5 19.5 13.5 62 62 A T - 0 0 85 -2,-0.4 32,-0.2 32,-0.3 31,-0.1 -0.960 36.3-124.6-107.9 108.9 42.4 16.8 15.2 63 63 A P - 0 0 9 0, 0.0 2,-1.7 0, 0.0 3,-0.2 -0.341 7.2-139.5 -69.5 137.3 39.1 16.9 13.3 64 64 A A > + 0 0 36 1,-0.2 3,-2.2 2,-0.1 4,-0.2 -0.529 35.1 165.3 -93.4 68.6 36.1 17.4 15.6 65 65 A V G > + 0 0 3 -2,-1.7 3,-1.9 1,-0.3 -1,-0.2 0.809 65.8 67.0 -62.0 -30.6 33.9 15.0 13.7 66 66 A S G 3 S+ 0 0 50 1,-0.3 -1,-0.3 -3,-0.2 14,-0.2 0.633 87.4 72.6 -63.9 -10.3 31.3 14.7 16.4 67 67 A Q G < S+ 0 0 43 -3,-2.2 53,-2.6 12,-0.1 -1,-0.3 0.571 76.7 107.9 -79.3 -9.4 30.4 18.4 15.7 68 68 A F E < +B 119 0A 0 -3,-1.9 12,-2.2 51,-0.2 2,-0.3 -0.353 41.2 170.0 -79.6 152.0 28.7 17.4 12.4 69 69 A N E -BC 118 79A 7 49,-1.2 49,-2.8 10,-0.2 2,-0.4 -0.980 26.7-137.4-153.3 148.0 25.0 17.5 11.8 70 70 A A E -BC 117 78A 0 8,-2.7 8,-2.8 -2,-0.3 2,-0.3 -0.925 32.3-177.1-109.1 136.4 22.6 17.2 8.8 71 71 A R E -BC 116 77A 43 45,-2.6 44,-2.3 -2,-0.4 45,-1.8 -0.921 27.1-129.7-134.3 160.1 19.7 19.6 8.7 72 72 A T > - 0 0 10 4,-1.8 3,-1.1 -2,-0.3 41,-0.0 -0.602 43.4-101.9 -92.6 162.5 16.6 20.5 6.8 73 73 A A T 3 S+ 0 0 89 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.829 122.1 51.1 -58.8 -32.0 16.0 24.2 5.8 74 74 A D T 3 S- 0 0 134 2,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.647 127.6 -95.6 -83.7 -12.1 13.6 24.8 8.6 75 75 A G < + 0 0 46 -3,-1.1 2,-0.1 1,-0.3 -2,-0.1 0.561 65.6 153.9 115.5 9.1 16.0 23.4 11.1 76 76 A I - 0 0 68 1,-0.0 -4,-1.8 2,-0.0 2,-0.4 -0.455 34.6-150.6 -61.5 138.1 15.3 19.7 11.8 77 77 A N E -C 71 0A 62 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.2 -0.952 20.9-168.4-124.9 135.6 18.7 18.3 12.9 78 78 A Y E -C 70 0A 13 -8,-2.8 -8,-2.7 -2,-0.4 31,-0.1 -0.991 25.2-131.2-123.2 118.2 20.2 14.9 12.6 79 79 A R E -C 69 0A 111 -2,-0.5 29,-0.6 -10,-0.2 -10,-0.2 -0.351 27.6-102.4 -64.6 145.3 23.4 14.2 14.6 80 80 A V B -H 107 0B 1 -12,-2.2 2,-1.8 -14,-0.2 27,-0.2 -0.381 26.5-122.9 -60.1 143.8 26.4 12.6 13.0 81 81 A L - 0 0 19 25,-2.9 2,-0.2 2,-0.1 25,-0.2 -0.596 47.1-144.1 -86.5 70.7 26.8 9.0 13.8 82 82 A W - 0 0 150 -2,-1.8 2,-0.2 -14,-0.1 23,-0.0 -0.875 45.1 -32.4 -77.8 149.6 30.2 9.9 15.1 83 83 A Q S S+ 0 0 67 -2,-0.2 23,-0.3 2,-0.1 2,-0.2 -0.024 93.3 103.0 -61.1 -42.2 32.7 7.7 14.7 84 84 A A S S- 0 0 80 -2,-0.2 -2,-0.1 5,-0.1 5,-0.1 -0.510 75.2 -22.3-122.5 -73.4 31.9 4.8 14.7 85 85 A A S S+ 0 0 49 -2,-0.2 4,-0.2 -4,-0.1 -2,-0.1 0.652 77.9 124.0 -75.0 -95.4 31.3 1.7 12.6 86 86 A G > - 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